4-Ethoxysalicylic acid

HCID 82628

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Basic information

CAS: 10435-55-9
Standard SMILES: CCOc1ccc(C(=O)O)c(O)c1
InChIKey: DVZPQHRWOUXUPU-UHFFFAOYSA-N
Molecular formula: C9H10O4
Average molar mass: 182.17 g/mol
Monoisotopic mass: 182.0579088

Names & identifiers

Preferred name: 4-Ethoxysalicylic acid
IUPAC: 4-ethoxy-2-hydroxybenzoic acid
English name: 4-Ethoxy-2-hydroxybenzoic acid
Molecular formula: C9H10O4
Molecular weight: 182.17

Names & synonyms

4-Ethoxysalicylic acidBenzoic acid, 4-ethoxy-2-hydroxy-AI3-24368EINECS 233-919-2DTXSID30146400NSC 4145RefChem:522694DTXCID7068891233-919-24-Ethoxy-2-hydroxybenzoic acid10435-55-92-hydroxy-4-ethoxybenzoic acid

Show more names

4-ETHOXYSALICYLIC ACID 97%Benzoic acid,4-ethoxy-2-hydroxy-

CHEMBL31344124-ethoxy-2-hydroxy-benzoic acidNSC-41454-Ethoxy-2-hydroxybenzoicacidSalicylic acid, 4-ethoxy-SCHEMBL5391384-Ethoxysalicylic acid, 97%6V63RAH3E9

Database identifiers

CAS: 10435-55-9
PubChem CID: 82628
DTXSID: DTXSID30146400
ChEMBL: CHEMBL3134412
UNII: 6V63RAH3E9
EC Number: 233-919-2
Nikkaji: J212.394K

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 66.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 180

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point: 153 · 153-157 °C(lit.)
Boiling point: 337.7 · 337.7±27.0 °C(Predicted)
Density: 1.292 · 1.292±0.06 g/cm3(Predicted)
pka: 3.23 · 3.23±0.10(Predicted)
form: solid
InChI: 1S/C9H10O4/c1-2-13-6-3-4-7(9(11)12)8(10)5-6/h3-5,10H,2H2,1H3,(H,11,12)
InChIKey: DVZPQHRWOUXUPU-UHFFFAOYSA-N
SMILES: CCOc1ccc(C(O)=O)c(O)c1
FDA UNII: 6 V63RAH3E9 · 6V63RAH3E9
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.